SCHEMBL5676291

SCHEMBL5676291

CC(C)(C)OC(=O)CC1(SN=O)C2CC3CC(C2)CC1C3

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5680329 0.80 HSD11B1 (0.36) MEN1KMT2A
SCHEMBL5148657 0.77 HSD11B1 (0.46) MEN1KMT2A
SCHEMBL4693877 0.75 EPHX2 (0.39) EPHX2MEN1MAPK1KMT2A
SCHEMBL5675990 0.75 HSD11B1 (0.41)
SCHEMBL5676231 0.75 GAA (0.45)
SCHEMBL134689 0.68 ALDH1A1 (0.50) EPHX2MEN1MAPK1KMT2A
SCHEMBL4586648 0.68
SCHEMBL5435228 0.67 MAPK1 (0.41) EPHX2MEN1MAPK1KMT2A
SCHEMBL14466039 0.67 EPHX2 (0.33) EPHX2MEN1MAPK1KMT2A
SCHEMBL14272254 0.67 EPHX2 (0.33) EPHX2MEN1MAPK1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497268-A4 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2006-01-18 EP claimed
EP-1497268-A2 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-01-19 EP claimed
US-20030203915-A1 Nitric oxide donors, compositions and methods of use related applications NICOX S.A. (FR) 2003-10-30 US claimed
WO-2003086282-A2 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2003-10-23 WO claimed
EP-1497268-A4 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2006-01-18 EP disclosed
EP-1497268-A2 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-01-19 EP disclosed
US-20030203915-A1 Nitric oxide donors, compositions and methods of use related applications NICOX S.A. (FR) 2003-10-30 US disclosed
WO-2003086282-A2 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2003-10-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030203915-A1 Nitric oxide donors, compositions and methods of use related applications NOS1, NOS2, NOS3 EPHX2 671/4885MEN1 3465/4885MAPK1 957/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.